N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

C14H12N2O4S3 — CID 7273187

IUPACN-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESCCN1C(=O)/C(=C/c2ccco2)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H12N2O4S3/c1-2-16-13(17)11(9-10-5-3-7-20-10)22-14(16)15-23(18,19)12-6-4-8-21-12/h3-9H,2H2,1H3/b11-9-,15-14?
InChIKeyZTWVFDVLFZHIJM-HPYCBCPESA-N
MW368.46 g/mol
LogP3.02
Rot. Bonds4

About N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (PubChem CID 7273187) has the molecular formula C14H12N2O4S3 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
PubChem CID7273187
Molecular FormulaC14H12N2O4S3
Molecular Weight368.46 g/mol
Exact Mass368.00
IUPAC NameN-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESCCN1C(=O)/C(=C/c2ccco2)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H12N2O4S3/c1-2-16-13(17)11(9-10-5-3-7-20-10)22-14(16)15-23(18,19)12-6-4-8-21-12/h3-9H,2H2,1H3/b11-9-,15-14?
InChIKeyZTWVFDVLFZHIJM-HPYCBCPESA-N
XLogP3.02
TPSA79.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-5-chloro-N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 18811403
N-[(5Z)-5-benzylidene-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273180
(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6372518
N-[(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273188
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
N-[(5Z)-3-ethyl-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 98157183
N-[3-ethyl-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 4002973
(NZ)-4-ethyl-N-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 178186790
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 18398171
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
N-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51445696

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (CID 7273187) is N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is CCN1C(=O)/C(=C/c2ccco2)SC1=NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is ZTWVFDVLFZHIJM-HPYCBCPESA-N. The full InChI is InChI=1S/C14H12N2O4S3/c1-2-16-13(17)11(9-10-5-3-7-20-10)22-14(16)15-23(18,19)12-6-4-8-21-12/h3-9H,2H2,1H3/b11-9-,15-14?.
What are the key properties of N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 7273187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).